SCHEMBL8552725

SCHEMBL8552725

O=C(CN1C(=O)CC1SCc1ccccc1)NCCCCCCC1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.45
ADAMTS5 Q9UNA0 3/20 0.43
ADAMTS4 O75173 2/20 0.43
EPHX2 P34913 3/20 0.42
RAB9A P51151 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
BCHE P06276 1/20 0.39
NPC1 O15118 1/20 0.38
TBXA2R P21731 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
EPHX1 P07099 1/20 0.38
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CHRNA7 P36544 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27495124 0.86 TRPV1 (0.50) EPHX2KMT2ATSHR
SCHEMBL27476952 0.86 TRPV1 (0.50) EPHX2KMT2ATSHR
SCHEMBL8441268 0.86 TRPV1 (0.50) EPHX2KMT2ATSHR
SCHEMBL8440276 0.86 TRPV1 (0.50) EPHX2KMT2ATSHR
SCHEMBL8440280 0.86 TRPV1 (0.50) EPHX2KMT2ATSHR
SCHEMBL8551142 0.85 HPGD (0.47) EPHX2EPHX1
SCHEMBL8442701 0.85 TRPV1 (0.48) EPHX2KMT2ATSHR
SCHEMBL8592437 0.82 LMNA (0.44) MEN1KMT2ATSHR
SCHEMBL8441910 0.82 TRPV1 (0.55) KMT2ATSHR
SCHEMBL8438842 0.81 PLAAT3 (0.47) KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0865429-A1 AZETIDINONE COMPOUNDS FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1998-09-23 EP claimed
WO-1997021676-A1 AZETIDINONE COMPOUNDS FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-06-19 WO claimed
EP-0865429-A1 AZETIDINONE COMPOUNDS FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1998-09-23 EP disclosed
WO-1997021676-A1 AZETIDINONE COMPOUNDS FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-06-19 WO disclosed